1-[3-fluoranyl-4-[4-[(2-methylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-[(2-methylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[(2-methylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[(2-methyl-1-benzimidazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[(2-methylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[(2-methylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C21H24FN4O+ MolecularWeight: 367.439863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1C[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F

Isomeric SMILES

CC1=NC2=CC=CC=C2N1C[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F

InChI

InChI=1S/C21H23FN4O/c1-15(27)17-7-8-20(18(22)13-17)25-11-9-24(10-12-25)14-26-16(2)23-19-5-3-4-6-21(19)26/h3-8,13H,9-12,14H2,1-2H3/p+1